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SMILES: C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl

InChI Key: InChIKey=JUZFITLZDGXCJL-WFASDCNBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378449   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM378449
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r|
Show InChI InChI=1S/C20H28ClN5O4S/c1-12-8-15(4-7-26(12)31(29,30)25-5-2-14(22)3-6-25)23-20(28)16-9-13-10-19(27)24-18(13)11-17(16)21/h9,11-12,14-15H,2-8,10,22H2,1H3,(H,23,28)(H,24,27)/t12-,15-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.980n/an/an/an/an/an/a



ENSCMu



Assay Description
The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....

Bioorg Med Chem 14: 7241-57 (2006)


BindingDB Entry DOI: 10.7270/Q2DJ5HX2
More data for this
Ligand-Target Pair